K781-8262 Screening compound: 3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

K781-8262 Screening compound: 3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
K781-8262 Screening compound: 3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8262
3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-8262

Molecular Formula

C18H21N7O4 (C18 H21 N7 O4)

Compound Name

3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

IUPAC name

3-({4-nitro-7-[4-(pyridin-2-yl)piperazin-1-yl]-213-benzoxadiazol-5-yl}amino)propan-1-ol

SMILES

[O-][N+](c(c1nonc1c(N(CC1)CCN1c1ncccc1)c1)c1NCCCO)=O

InChI

InChI=1S/C18H21N7O4/c26-11-3-6-19-13-12-14(16-17(22-29-21-16)18(13)25(27)28)23-7-9-24(10-8-23)15-4-1-2-5-20-15/h1-2,4-5,12,19,26H,3,6-11H2

InChI Key

BWAVTFHHFGROLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.37

Polar Surface Area

111.107

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K781-8262 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-8262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8262?
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What is the minimum amount of K781-8262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8262
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K781-8262 available by request